UCSF

ZINC70460933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2011 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 4.07 -51.64 3 4 1 58 215.28 2
Hi High (pH 8-9.5) 1.18 3.67 -8.37 2 4 0 57 214.272 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )